Effects of Cu ratios on the C<sub>1</sub>–C<sub>6</sub> growth mechanism on copper–nickel bimetallic surfaces

Zhang, Cunxin; Niu, Juntian; Guo, Zhiqiang; Liu, Haiyu; Jin, Yan; Ran, Jingyu

doi:10.1039/d3cp01898a

Cited by 4 publications

(2 citation statements)

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“…However, the delay in the oxidation of CH 4−x allowed for the polymerization of CH 4−x into coke (Step S2 ; Figure 7). In a recent study, Zhang et al carried out DFT studies focused on methane cracking over a catalyst surface and the subsequent growth of cracked carbon from the C1 carbon unit to the C6 carbon unit (C1-C6) [41]. From the C1-C4 carbon growth, "chain to chain" growth path (lengthening of carbon chain) was the main growth path.…”

Section: Catalytic Activity Results and Discussionmentioning

confidence: 99%

Understanding Coke Deposition Vis-à-Vis DRM Activity over Magnesia-Alumina Supported Ni-Fe, Ni-Co, Ni-Ce, and Ni-Sr Catalysts

Alanazi,

Patel,

Fakeeha

et al. 2023

Nanomaterials

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The catalytic conversion of CH4 and CO2 into H2-rich syngas is known as the dry reforming of methane (DRM). The dissociation of CH4 over active sites, coupled with the oxidation or polymerization of CH4−x (x = 1–4), plays a crucial role in determining in determining the DRM product yield and coke deposition. Herein, a series of bimetallic-supported catalysts are prepared by the dispersion of Ni-M (M = Ce, Co, Fe, and Sr) over 60 wt% MgO-40 wt% Al2O3 (60Mg40Al) support. Catalysts are tested for DRM and characterized with XRD, surface area and porosity, temperature-programmed reduction/desorption, UV−VIS−Raman spectroscopy, and thermogravimetry. 2.5Ni2.5Sr/60Mg40Al and 2.5Ni2.5Fe/60Mg40Al, and 2.5Ni2.5Ce/60Mg40Al and 2.5Ni2.5Co/60Mg40Al have similar CO2 interaction profiles. The 2.5Ni2.5Sr/60Mg40Al catalyst nurtures inert-type coke, whereas 2.5Ni2.5Fe/60Mg40Al accelerates the deposition of huge coke, which results in catalytic inferiority. The higher activity over 2.5Ni2.5Ce/60Mg40Al is due to the instant lattice oxygen-endowing capacity for oxidizing coke. Retaining a high DRM activity (54% H2-yield) up to 24 h even against a huge coke deposition (weight loss 46%) over 2.5Ni2.5Co/60Mg40Al is due to the timely diffusion of coke far from the active sites or the mounting of active sites over the carbon nanotube.

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Section: Catalytic Activity Results and Discussionmentioning

confidence: 99%

Understanding Coke Deposition Vis-à-Vis DRM Activity over Magnesia-Alumina Supported Ni-Fe, Ni-Co, Ni-Ce, and Ni-Sr Catalysts

Alanazi,

Patel,

Fakeeha

et al. 2023

Nanomaterials

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“…However, Ni undergoes serious sintering at hightemperature endothermic DRM reactions which leads to severe coke deposition and finally deactivation. In the DFT study, the growth process of subsequent carbon species into graphene or carbon nanotube-like structures was discussed by Zhang et al 3 SiO 2 , Al 2 O 3 , and ZrO 2 supported Ni catalysts had enhanced metal-support interaction which resist the sintering at hightemperature DRM reaction. [4][5][6] Silica is just a neutral support providing a large surface area (from micropores to mesopores range).…”

Section: Introductionmentioning

confidence: 99%

Role of promoters over yttria‐zirconia supported Ni catalyst for dry reforming of methane

Fakeeha,

Acharya,

Ibrahim

et al. 2023

Energy Science & Engineering

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Dry reforming of methane (DRM) bears great hope for the catalytic community as well as environmentalists for its potential to convert two greenhouse gases, CH4 and CO2, together into synthetic feedstock “syngas”. The stable tetragonal zirconium yttrium oxide phase over the “Yttria‐zirconia supported Ni” catalyst (Ni/YZr) brings >70% CH4 conversion against 50% CH4 conversion over zirconia supported Ni catalyst) in 7 h time‐on‐stream (TOS). The use of the second metal oxide (MOx; M = Ho, Ga, Gd, Ba, Cs) in a small amount (4 wt%) over Ni/YZ catalyst is found to promote the catalytic activity further. Herein, we have prepared such metal‐promoted yttria‐zirconia supported Ni catalyst, employed them for DRM and characterized them with surface area porosity, X‐ray diffraction, spectroscopic techniques, temperature programmed techniques and transmission electron microscopy. A fine correlation of characterization results with catalytic activity brings out various useful information that would be useful for establishing yttria‐zirconia supported Ni catalyst for DRM. Ni stabilized over cubic zirconium holmium oxide phase in 5Ni4Ho/YZr catalyst, cubic zirconium gadolinium oxide phase in 5Ni4Gd/YZr catalyst and cubic zirconium barium oxide phase in 5Ni4Ba/YZr catalyst perform excellent toward DRM. Catalytically, 5Ni4Ho/YZr catalyst achieves CH4 conversion as high as ~85% whereas 5Ni4Ba/YZr and 5Ni4Gd/YZr show CH4 conversions of about ~80%. Even in 30 h TOS study, 5Ni4Ho/YZr catalyst showed >81% CH4 conversion with retaining highest H2/CO (0.97).

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A DFT study for in-situ CO2 utilization realized by calcium-looping dry reforming of methane based on Ni/CaCO3

Wang,

Zhao,

et al. 2024

Chemical Engineering Journal

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Effects of Cu ratios on the C₁–C₆ growth mechanism on copper–nickel bimetallic surfaces

Abstract: The adsorption and growth mechanisms of Cn (n = 1–6) on different Cu–Ni surfaces are calculated by density functional theory (DFT).

Cited by 4 publications

References 50 publications

Understanding Coke Deposition Vis-à-Vis DRM Activity over Magnesia-Alumina Supported Ni-Fe, Ni-Co, Ni-Ce, and Ni-Sr Catalysts

Understanding Coke Deposition Vis-à-Vis DRM Activity over Magnesia-Alumina Supported Ni-Fe, Ni-Co, Ni-Ce, and Ni-Sr Catalysts

Role of promoters over yttria‐zirconia supported Ni catalyst for dry reforming of methane

A DFT study for in-situ CO2 utilization realized by calcium-looping dry reforming of methane based on Ni/CaCO3

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Effects of Cu ratios on the C1–C6 growth mechanism on copper–nickel bimetallic surfaces

Abstract: The adsorption and growth mechanisms of Cn (n = 1–6) on different Cu–Ni surfaces are calculated by density functional theory (DFT).

Cited by 4 publications

References 50 publications

Understanding Coke Deposition Vis-à-Vis DRM Activity over Magnesia-Alumina Supported Ni-Fe, Ni-Co, Ni-Ce, and Ni-Sr Catalysts

Understanding Coke Deposition Vis-à-Vis DRM Activity over Magnesia-Alumina Supported Ni-Fe, Ni-Co, Ni-Ce, and Ni-Sr Catalysts

Role of promoters over yttria‐zirconia supported Ni catalyst for dry reforming of methane

A DFT study for in-situ CO2 utilization realized by calcium-looping dry reforming of methane based on Ni/CaCO3

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Effects of Cu ratios on the C₁–C₆ growth mechanism on copper–nickel bimetallic surfaces